General Information of the Compound
| Compound ID |
CP0235985
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| Compound Name |
2-(8-cyano-5-methyl-4-oxo-3-phenylpyrimido[5,4-b]indol-2-yl)sulfanyl-N-cyclohexylacetamide
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| Structure |
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| Formula |
C26H25N5O2S
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| Molecular Weight |
471.586
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| Canonical SMILES |
Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)C#N
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| InChI |
InChI=1S/C26H25N5O2S/c1-30-21-13-12-17(15-27)14-20(21)23-24(30)25(33)31(19-10-6-3-7-11-19)26(29-23)34-16-22(32)28-18-8-4-2-5-9-18/h3,6-7,10-14,18H,2,4-5,8-9,16H2,1H3,(H,28,32)
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| InChIKey |
FXDNNOFRYNLDIY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03343, Toll-like receptor 4
Protein ID: PT03041, Toll-like receptor 4